2,5-dichloro-4-methylaniline

• ChemBase ID: 242469
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: c1c(c(cc(c1Cl)C)Cl)N
• Canonical SMILES: Cc1cc(Cl)c(cc1Cl)N
• InChI: InChI=1S/C7H7Cl2N/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3
• InChIKey: PLVBBUUBVVJOIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-methylaniline
• IUPAC Traditional name: 2,5-dichloro-4-methylaniline
• Synonyms: 2,5-dichloro-4-methylaniline

Database IDs

• MDL Number: MFCD20690650
• PubChem SID: 164298379
• PubChem CID: 19601391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8654597
• LogD (pH = 7.4): 2.865826
• Log P: 2.8658307
• Molar Refractivity: 45.4092 cm^3
• Polarizability: 16.992748 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 3.218

Product Information

• Purity: 95%